N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(2-quinolinylthio)acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(2-quinolylthio)acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N2O3S/c1-23(12-16-13-25-18-8-4-5-9-19(18)26-16)21(24)14-27-20-11-10-15-6-2-3-7-17(15)22-20/h2-11,16H,12-14H2,1H3/t16-/m0/s1